UCSF

ZINC02528072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.12 -3.14 -2.41 1 1 0 20 423.724 0

Vendor Notes

Note Type Comments Provided By
MP 196° Matrix Scientific
MP 198 TCI
MP 198° Oakwood Chemical
Warnings IRRITANT, IRRITANT-HARMFUL, CORROSIVE Matrix Scientific
Warnings Irritant-Harmful Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )